Information card for entry 2018661

Structure parameters

• Chemical name: bis(<i>N</i>,<i>N</i>'-dimethylethylenediamine- κ^2^<i>N</i>,<i>N</i>')bis(perchlorato-κ<i>O</i>)copper(II)
• Formula: C8 H24 Cl2 Cu N4 O8
• Calculated formula: C8 H24 Cl2 Cu N4 O8
• SMILES: [Cu]12([NH](CC[NH]1C)C)[NH](CC[NH]2C)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: The weakly coordinating perchlorate group in bis(<i>N</i>,<i>N</i>'-dimethylethylenediamine-κ^2^<i>N</i>,<i>N</i>')bis(perchlorato-κ<i>O</i>)copper(II) studied at 100, 250 and 400K
• Authors of publication: Schnitzler, Silvia; Şerb, Mihaela-Diana; Englert, Ulli
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: m251 - m254
• a: 8.5395 ± 0.0017 Å
• b: 13.543 ± 0.003 Å
• c: 14.743 ± 0.004 Å
• α: 90°
• β: 95.358 ± 0.003°
• γ: 90°
• Cell volume: 1697.6 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0443
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0717
• Weighted residual factors for all reflections included in the refinement: 0.0753
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes